[Wien] lapw2c tries to read an anomalous amount of data

Luc Fruchter luc.fruchter at u-psud.fr
Thu Jul 25 20:11:40 CEST 2019


So, my understanding of the situation is that lapw1 may create .vector 
files that are larger than the amount of memory needed by the lapw1 step.
At the lapw2 step, the program must handle these files with less memory 
than needed, hence these physical / cached unefficient readings.
This sounds annoying, as one cannot immediately detect the memory need 
for the case, from a try with the beginning of a scf cycle, as I use to do.


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